SCHEMBL8507243

SCHEMBL8507243

C#CCOc1ccc(C(C)c2ccc(OCC#C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA4 P22748 4/20 0.49
CA9 Q16790 4/20 0.49
CA1 P00915 2/20 0.49
GSTP1 P09211 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
MAOA P21397 8/20 0.47
MAOB P27338 8/20 0.47
ACHE P22303 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
CASR P41180 2/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GRM5 P41594 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16541715 0.91 CA12 (0.42) CA12CA4CA9CA1GSTP1
SCHEMBL15805612 0.91 ESR1 (0.53) CA12CA4CA9CA1GSTP1
SCHEMBL10187829 0.88 GSTP1 (0.49) CA12CA4CA9CA1GSTP1
SCHEMBL24805910 0.85 CA12 (0.46) CA12CA4CA9CA1GSTP1
SCHEMBL8645925 0.83 CA12 (0.52) CA12CA4CA9CA1GSTP1
SCHEMBL15804016 0.83 ALDH1A1 (0.54) CA12CA4CA9CA1GSTP1
SCHEMBL5704167 0.82 CA12 (0.63) CA12CA4CA9CA1GSTP1
SCHEMBL6849458 0.81 CA12 (0.46) CA12CA4CA9CA1GSTP1
Hydrochloric Acid SCHEMBL21694040 0.80 CA12 (0.61) CA12CA4CA9CA1GSTP1
SCHEMBL12765585 0.79 AKR1C3 (0.50) CA12CA4CA9CA1GSTP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686170-A4 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS INC (US) 1997-05-28 EP claimed
US-5489641-A CURABLE MIXTURE CONTAINING LIQUID POLYCYANATE ESTER MONOMER, ELECTROCONDUCTIVE FILLER AND METAL CATALYST QUANTUM MATERIALS (US) 1996-02-06 US claimed
EP-0686170-A1 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1995-12-13 EP claimed
WO-1994019402-A2 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1994-09-01 WO claimed
US-11203181-B2 Barrier film-containing format and the use thereof for pre-applied underfill film for 3D TSV packages HENKEL AG & CO. KGAA (DE) 2021-12-21 US disclosed
US-11174419-B2 Light stable transparent adhesive compositions and methods for use thereof HENKEL AG & CO. KGAA (DE) 2021-11-16 US disclosed
US-10985108-B2 Compositions for gap coating and/or filling in or between electronic packages by capillary flow and methods for the use thereof Henkel IP & Holding GmbH (DE) 2021-04-20 US disclosed
US-10937740-B2 2021-03-02 US disclosed
US-10927249-B2 Resin compositions for underfill film for three dimensional through silica via (TSV) packages and compositions useful for the preparation thereof Henkel IP & Holding GmbH (DE) 2021-02-23 US disclosed
US-10913879-B2 Thermally conductive pre-applied underfill formulations and uses thereof Henkel IP & Holding GmbH (DE) 2021-02-09 US disclosed
US-10858523-B2 Achieving electromagnetic interference shielding protection by deposition of highly conductive compositions Henkel IP & Holding GmbH (DE) 2020-12-08 US disclosed
US-10741503-B2 Graphene-containing materials for coating and gap filling applications Henkel IP & Holding GmbH (DE) 2020-08-11 US disclosed
US-5718941-A FOR ADHESIVE COMPOSITIONS QUANTUM MATERIALS, INC. (US) 1998-02-17 US disclosed
US-5646241-A ADHESIVES QUANTUM MATERIALS, INC. (US) 1997-07-08 US disclosed
EP-0686170-A4 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS INC (US) 1997-05-28 EP disclosed
US-5489641-A CURABLE MIXTURE CONTAINING LIQUID POLYCYANATE ESTER MONOMER, ELECTROCONDUCTIVE FILLER AND METAL CATALYST QUANTUM MATERIALS (US) 1996-02-06 US disclosed
EP-0686170-A1 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1995-12-13 EP disclosed
US-5447988-A Composition for attaching semiconductor device to substrate: polycyanate ester monomer vehicle, electrically conductive filler, metal catalyst. Monomer vehicle is liquid under ambient conditions and composition is alkylphenol-free. QUANTUM MATERIALS (US) 1995-09-05 US disclosed
US-5358992-A Bonding semiconductor to substrate QUANTUM MATERIALS, INC. (US) 1994-10-25 US disclosed
WO-1994019402-A2 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1994-09-01 WO disclosed